methyl (3R)-3-(diethylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3R)-3-(diethylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3R)-3-(diethylamino)-4-(2-nitroanilino)-4-oxo-butanoate CAS Name: (3R)-3-(diethylamino)-4-(2-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3R)-3-(diethylamino)-4-(2-nitroanilino)-4-oxobutanoate Traditional Name: (3R)-3-(diethylamino)-4-keto-4-(2-nitroanilino)butyric acid methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC(=O)OC)C(=O)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCN(CC)[C@H](CC(=O)OC)C(=O)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-4-17(5-2)13(10-14(19)23-3)15(20)16-11-8-6-7-9-12(11)18(21)22/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)/t13-/m1/s1